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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140313 52681553 1 N4O5C23H27 A4B5C23D27 -114.46 4.14 0.0 0.0 1
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140314 52681554 1 N4O5C23H27 A4B5C23D27 -110.99 2.44 0.0 0.0 0
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140315 52681555 1 ClSO3N4C20H21 ABC3D4E20F21 -48.68 7.19 -9.08 -1.26 1
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140316 52681572 1 O2S2N5C22H24 A2B2C5D22E24 8.88 3.38 0.0 0.0 0
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140317 52681750 1 OSN6C25H32 ABC6D25E32 40.85 2.88 -8.56 -0.2 0
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140318 52681893 1 BrN3O3C23H28 AB3C3D23E28 -88.29 6.52 -8.87 -0.82 0
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140319 52682002 1 SO2N4C21H32 AB2C4D21E32 -62.08 3.8 -8.6 0.09 0
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140320 52682003 1 SO2N4C21H32 AB2C4D21E32 -69.64 5.76 -8.75 0.01 0
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140321 52682004 2 OSN3C10H14 ABC3D10E14 5.95 6.2 -8.61 -0.41 0
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140322 52682005 1 S2F3O3N4C18H23 A2B3C3D4E18F23 -224.97 9.9 -8.81 -1.43 0
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140323 52682006 1 SO2N5C24H31 AB2C5D24E31 -30.93 4.15 -8.67 -0.85 0
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140324 52682007 1 S2O3N5C22H33 A2B3C5D22E33 -69.19 8.49 -8.82 -0.65 0
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140325 52682238 1 FO4N5C21H24 AB4C5D21E24 -93.82 4.58 -9.19 -1.27 0
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140326 52682562 1 F3O3N6C21H25 A3B3C6D21E25 -184.45 1.6 -9.26 -1.19 0
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140327 52682920 1 FON2C20H23 ABC2D20E23 -50.09 5.73 -8.34 0.05 0
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140328 52682921 1 FON2C20H23 ABC2D20E23 -52.77 2.69 -8.48 -0.17 0
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140329 52683121 1 O3H20C22 A3B20C22 -35.19 3.64 -9.09 -0.99 0
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140330 52683122 1 O2N3H19C21 A2B3C19D21 24.5 2.67 -8.97 -1.15 0
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140331 52683259 1 O2N5C20H21 A2B5C20D21 19.85 0.98 -8.99 -0.94 1
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140332 52683342 1 SN3O3C23H30 AB3C3D23E30 -49.4 5.56 0.0 0.0 0
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140333 52683421 1 SCl2O2N4C19H24 AB2C2D4E19F24 -51.18 3.72 -9.23 -0.67 1
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140334 52683502 1 OCl2N3C20H24 AB2C3D20E24 0.07 11.32 0.0 0.0 1
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140335 52683926 1 F2N2O2C19H21 A2B2C2D19E21 -116.83 2.36 0.0 0.0 -1
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140336 52683937 1 SO2N5H20C23 AB2C5D20E23 98.52 1.48 0.0 0.0 0
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140337 52684387 1 ClN2O2C21H25 AB2C2D21E25 -61.55 3.24 -8.67 -0.14 1
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140338 52684686 1 N3O4C23H30 A3B4C23D30 -43.86 7.07 0.0 0.0 1
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140339 52684699 1 N4O4C23H31 A4B4C23D31 -17.71 7.23 0.0 0.0 1
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140340 52684899 1 ON3C23H36 AB3C23D36 -15.79 2.78 0.0 0.0 1
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140341 52685329 1 N2O2C24H33 A2B2C24D33 -55.46 7.8 0.0 0.0 0
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140342 52685330 2 NOC12H16 ABC12D16 -74.74 6.43 -8.77 -0.18 0
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140343 52685378 2 ON2C13H17 AB2C13D17 -65.79 8.42 -8.59 -0.92 1
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140344 52685461 1 N4O5C26H33 A4B5C26D33 -84.55 10.77 0.0 0.0 0
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140345 52685462 1 N4O5C26H32 A4B5C26D32 -104.46 8.93 -8.95 -1.55 0
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140346 52685677 1 SN2O5C25H28 AB2C5D25E28 -141.76 5.99 -8.96 -0.37 0
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140347 52685688 1 SN3O5C23H25 AB3C5D23E25 -139.41 4.48 -9.03 -0.86 0
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140348 52685723 1 SN3O3H23C26 AB3C3D23E26 -18.78 3.25 -9.05 -1.5 0
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140349 52685730 1 N2O3C25H26 A2B3C25D26 -69.89 3.39 -9.02 -0.1 1
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140350 52685934 1 N2O2C17H27 A2B2C17D27 -38.99 4.23 0.0 0.0 0
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140351 52685935 1 N2O2C17H26 A2B2C17D26 -59.91 4.42 -8.51 0.5 1
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140352 52685936 1 O2N3C23H32 A2B3C23D32 -29.57 5.37 0.0 0.0 0
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140353 52686435 1 FON4C16H21 ABC4D16E21 -46.21 2.33 -8.58 -0.03 0
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140354 52686436 1 SN2O5C12H18 AB2C5D12E18 -213.63 7.36 -10.82 -1.49 0
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140355 52686437 1 SN2O5C14H16 AB2C5D14E16 -175.88 7.4 -9.7 -1.02 0
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140356 52686438 1 SN2O5C14H16 AB2C5D14E16 -176.09 3.66 -9.62 -1.04 0
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140357 52686439 1 N2O3C21H38 A2B3C21D38 -210.86 3.59 -9.39 0.79 0
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140358 52686511 1 BrFO2N3C21H21 ABC2D3E21F21 -70.69 4.01 -8.62 -0.95 0
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140359 52686516 1 O3N5C27H33 A3B5C27D33 -80.67 5.38 -8.46 -0.15 0
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140360 52686563 1 S2O3N4C20H28 A2B3C4D20E28 -100.08 5.23 -8.98 -0.46 0
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140361 52686704 1 N3S3O4C16H19 A3B3C4D16E19 -55.96 10.11 -8.71 -1.15 0
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140362 52686882 1 FOSN4C20H21 ABCD4E20F21 2.76 6.06 -9.36 -0.63 0